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CAS 68140-55-6

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3-Methylphenyl hexanoate

Description:
3-Methylphenyl hexanoate, also known by its CAS number 68140-55-6, is an ester formed from the reaction of 3-methylphenol and hexanoic acid. This compound typically exhibits a pleasant, fruity aroma, making it useful in the fragrance and flavoring industries. It is a colorless to pale yellow liquid at room temperature and is generally insoluble in water but soluble in organic solvents. The molecular structure features a hexanoate chain attached to a 3-methylphenyl group, contributing to its unique properties. In terms of stability, 3-Methylphenyl hexanoate is relatively stable under normal conditions but may undergo hydrolysis in the presence of strong acids or bases. Its applications extend beyond fragrances to potential uses in cosmetics and food products, where it can enhance sensory attributes. As with many esters, it is important to handle this compound with care, observing safety protocols to mitigate any risks associated with exposure or inhalation.
Formula:C13H18O2
InChI:InChI=1S/C13H18O2/c1-3-4-5-9-13(14)15-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3
InChI key:InChIKey=KFAYELJEHIGXQO-UHFFFAOYSA-N
SMILES:O(C(CCCCC)=O)C1=CC(C)=CC=C1
Synonyms:
  • Hexanoic acid, 3-methylphenyl ester
  • 3-Methylphenyl hexanoate
  • Hexanoic acid, m-tolyl ester
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